SCHEMBL22000409

SCHEMBL22000409

COc1ccccc1C[C@H]1CC[C@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]2N1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PNKP Q96T60 7/20 0.68
▸ USP2 O75604 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HCRTR1 O43613 3/20 0.47
▸ HCRTR2 O43614 3/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22000245 0.81 PNKP (1.00) PNKPUSP2HSD17B10HCRTR1HCRTR2
SCHEMBL22000597 0.81 PNKP (1.00) PNKPUSP2HSD17B10HCRTR1HCRTR2
SCHEMBL22000411 0.81 PNKP (1.00) PNKPUSP2HSD17B10HCRTR1HCRTR2
SCHEMBL4542015 0.64 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL4369528 0.63 GAA (0.54) PNKPHCRTR1HCRTR2MEN1KMT2A
SCHEMBL4534136 0.63 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL25798826 0.62 CETP (0.59) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2350546 0.62 L3MBTL1 (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21015413 0.62 IDO1 (0.47) GAAALDH1A1MAPTCYP2D6L3MBTL1
SCHEMBL4536117 0.62 HCRTR1 (1.00) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-10 — — US disclosed
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase PNKP, PPM1A, PPM1B PNKP 1/4885USP2 1847/4885HSD17B10 3619/4885
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B PNKP 1/4885USP2 1847/4885HSD17B10 3619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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